(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine

C17H18F3NS — CID 139045056

IUPAC(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine
SMILESNC[C@](SCCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NS/c18-17(19,20)16(13-21,15-9-5-2-6-10-15)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13,21H2/t16-/m0/s1
InChIKeyRESRAEHMIXHPTJ-INIZCTEOSA-N
MW325.40 g/mol
LogP4.38
Rot. Bonds6

About (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine

(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine (PubChem CID 139045056) has the molecular formula C17H18F3NS and a molecular weight of 325.40 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine
PubChem CID139045056
Molecular FormulaC17H18F3NS
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine
SMILESNC[C@](SCCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NS/c18-17(19,20)16(13-21,15-9-5-2-6-10-15)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13,21H2/t16-/m0/s1
InChIKeyRESRAEHMIXHPTJ-INIZCTEOSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine?
The IUPAC name of (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine (CID 139045056) is (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine is NC[C@](SCCc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine?
The InChIKey is RESRAEHMIXHPTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F3NS/c18-17(19,20)16(13-21,15-9-5-2-6-10-15)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13,21H2/t16-/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine?
(2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine has a molecular weight of 325.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-phenyl-2-(2-phenylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 139045056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).